3-[1-(3,5-dichlorophenyl)tetrazol-5-yl]propan-1-amine

C10H11Cl2N5 — CID 82228072

IUPAC3-[1-(3,5-dichlorophenyl)tetrazol-5-yl]propan-1-amine
SMILESNCCCc1nnnn1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C10H11Cl2N5/c11-7-4-8(12)6-9(5-7)17-10(2-1-3-13)14-15-16-17/h4-6H,1-3,13H2
InChIKeyVXLGTXWUHLKNFH-UHFFFAOYSA-N
MW272.14 g/mol
LogP1.86
Rot. Bonds4

About 3-[1-(3,5-dichlorophenyl)tetrazol-5-yl]propan-1-amine

3-[1-(3,5-dichlorophenyl)tetrazol-5-yl]propan-1-amine (PubChem CID 82228072) has the molecular formula C10H11Cl2N5 and a molecular weight of 272.14 g/mol. Its IUPAC name is 3-[1-(3,5-dichlorophenyl)tetrazol-5-yl]propan-1-amine.

Molecular Properties

Compound Name3-[1-(3,5-dichlorophenyl)tetrazol-5-yl]propan-1-amine
PubChem CID82228072
Molecular FormulaC10H11Cl2N5
Molecular Weight272.14 g/mol
Exact Mass271.04
IUPAC Name3-[1-(3,5-dichlorophenyl)tetrazol-5-yl]propan-1-amine
SMILESNCCCc1nnnn1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C10H11Cl2N5/c11-7-4-8(12)6-9(5-7)17-10(2-1-3-13)14-15-16-17/h4-6H,1-3,13H2
InChIKeyVXLGTXWUHLKNFH-UHFFFAOYSA-N
XLogP1.86
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(3,5-dichlorophenyl)tetrazol-5-yl]propan-1-amine?
The IUPAC name of 3-[1-(3,5-dichlorophenyl)tetrazol-5-yl]propan-1-amine (CID 82228072) is 3-[1-(3,5-dichlorophenyl)tetrazol-5-yl]propan-1-amine.
What is the SMILES notation for 3-[1-(3,5-dichlorophenyl)tetrazol-5-yl]propan-1-amine?
The canonical SMILES for 3-[1-(3,5-dichlorophenyl)tetrazol-5-yl]propan-1-amine is NCCCc1nnnn1-c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3-[1-(3,5-dichlorophenyl)tetrazol-5-yl]propan-1-amine?
The InChIKey is VXLGTXWUHLKNFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2N5/c11-7-4-8(12)6-9(5-7)17-10(2-1-3-13)14-15-16-17/h4-6H,1-3,13H2.
What are the key properties of 3-[1-(3,5-dichlorophenyl)tetrazol-5-yl]propan-1-amine?
3-[1-(3,5-dichlorophenyl)tetrazol-5-yl]propan-1-amine has a molecular weight of 272.14 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3,5-dichlorophenyl)tetrazol-5-yl]propan-1-amine is sourced from PubChem (CID 82228072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).